CID 74662

2,2-diphenylethanol

Structural Information

Molecular Formula
C14H14O
SMILES
C1=CC=C(C=C1)C(CO)C2=CC=CC=C2
InChI
InChI=1S/C14H14O/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14-15H,11H2
InChIKey
NYLOEXLAXYHOHH-UHFFFAOYSA-N
Compound name
2,2-diphenylethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

797
Patents

198.10446 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.11174 143.8
[M+Na]+ 221.09368 149.7
[M-H]- 197.09718 148.8
[M+NH4]+ 216.13828 161.8
[M+K]+ 237.06762 145.9
[M+H-H2O]+ 181.10172 136.9
[M+HCOO]- 243.10266 165.9
[M+CH3COO]- 257.11831 182.4
[M+Na-2H]- 219.07913 150.2
[M]+ 198.10391 141.8
[M]- 198.10501 141.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe